N-(2-methyl-3-nitrophenyl)-2-{[2-(pyridin-2-yl)ethyl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-methyl-3-nitrophenyl)-2-{[2-(pyridin-2-yl)ethyl]sulfanyl}acetamide
N-(2-methyl-3-nitrophenyl)-2-{[2-(pyridin-2-yl)ethyl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C700-0370 |
| Compound Name: | N-(2-methyl-3-nitrophenyl)-2-{[2-(pyridin-2-yl)ethyl]sulfanyl}acetamide |
| Molecular Weight: | 331.39 |
| Molecular Formula: | C16 H17 N3 O3 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)NC(CSCCc1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8137 |
| logD: | 2.805 |
| logSw: | -3.3745 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.042 |
| InChI Key: | MEIDUVNGIOQZIU-UHFFFAOYSA-N |